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Compound Detail

CHEMBL4461772

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CC(=O)NCc1cc(C2CC2)ccc1-n1c(C)nnc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4461772
Phase Preclinical
Structure Type MOL
InChI Key QPXSJNGYRFNNBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
2.40
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N4O
MW 284.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
31327677 10.1016/j.bmc.2019.07.020 Histone-lysine N-methyltransferase SETDB1 1

Data from ChEMBL 36 via Core Engine